Re: [gmx-users] secondary structure query

2018-06-13 Thread SHAHEE ISLAM
thank you sir,for your suggestion.yes the error was because of version mismatch. On 6/12/18, Justin Lemkul wrote: > > > On 6/12/18 9:31 AM, SHAHEE ISLAM wrote: >> hi, >> i am following this tutorial >> http://cgmartini.nl/index.php/tutorials-general-introduction/proteins. >> afrter converting

Re: [gmx-users] secondary structure query

2018-06-12 Thread Justin Lemkul
On 6/12/18 9:31 AM, SHAHEE ISLAM wrote: hi, i am following this tutorial http://cgmartini.nl/index.php/tutorials-general-introduction/proteins. afrter converting the coarse grained protein to all atom structure by charmm force field,i have gotten the all atom gro file.now i want to analyse

Re: [gmx-users] secondary structure query

2018-06-12 Thread SHAHEE ISLAM
The index group contains only residue based protein. On Jun 12, 2018 7:38 PM, "Soham Sarkar" wrote: > Do you have any allien group in your structure? If you have, then remove > that by indexing.. As per my understanding DSSP is very much residue > specific. Probably cannot read anything but

Re: [gmx-users] secondary structure query

2018-06-12 Thread Soham Sarkar
Do you have any allien group in your structure? If you have, then remove that by indexing.. As per my understanding DSSP is very much residue specific. Probably cannot read anything but the biomolecules. On Tue, 12 Jun 2018, 7:01 pm SHAHEE ISLAM, wrote: > hi, > i am following this tutorial >

[gmx-users] secondary structure query

2018-06-12 Thread SHAHEE ISLAM
hi, i am following this tutorial http://cgmartini.nl/index.php/tutorials-general-introduction/proteins. afrter converting the coarse grained protein to all atom structure by charmm force field,i have gotten the all atom gro file.now i want to analyse the secondary structure of thih gro file. when